2024-02-24_00000234
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ligand
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8XHR
Crystal structure of Mycobacterium tuberculosis MenT3 bound with CTP;
X-ray diffraction 2.10Å
Protein #1
301 residues (96% resolved)
Raw Sequence ...
MTKPYSSPPTNLRSLRDRLTQVAERQGVVFGRLQRHVAMIVVAQFAATLTDDTGAPLLLVKGGSSLELRRGIPDSRTSKAFDTVARRDIELIHEQLADAGETGWEGFTAIFTAPEEIDVPGMPVKPRRFTAKLSYRGRAFATVPIEVSSVEAGNADQFDTLTSDALGLVGVPAAVAVPCMTIPWQIAQKLHAVTAVLEEPKVNDRAHDLVDLQLLEGLLLDADLMPTRSACIAIFEARAQHPWPPRVATLPHWPLIYAGALEGLDHLELARTVDAAAQAVQRFVARIDRATKRLEHHHHHH
Canonical Sequence ...
MTKPYSSPPTNLRSLRDRLTQVAERQGVVFGRLQRHVAMIVVAQFAATLTDDTGAPLLLVKGGSSLELRRGIPDSRTSKAFDTVARRDIELIHEQLADAGETGWEGFTAIFTAPEEIDVPGMPVKPRRFTAKLSYRGRAFATVPIEVSSVEAGNADQFDTLTSDALGLVGVPAAVAVPCMTIPWQIAQKLHAVTAVLEEPKVNDRAHDLVDLQLLEGLLLDADLMPTRSACIAIFEARAQHPWPPRVATLPHWPLIYAGALEGLDHLELARTVDAAAQAVQRFVARIDRATKRLEHHHHHH
Non polymer #2
CTP
InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Model
Reference
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